SCHEMBL6741998

SCHEMBL6741998

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)C1CC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.42
CTSS P25774 1/20 0.42
PREP P48147 1/20 0.40
CTSL P07711 2/20 0.39
TRPA1 O75762 2/20 0.39
CTSB P07858 1/20 0.39
ELANE P08246 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9565659 0.88 CTSS (0.47) CTSKCTSSCTSLCA2CA1
SCHEMBL7301432 0.88 CTSS (0.47) CTSKCTSSCTSLCA2CA1
SCHEMBL28499087 0.86 EPHX2 (0.39) CTSLCA2CA1CA7GAA
SCHEMBL14609262 0.81 CTSK (0.44) CTSKCTSSCTSLCA2CA1
SCHEMBL8574646 0.80 CTSK (0.40) CTSKCTSSPREPCTSLTRPA1
SCHEMBL4176683 0.78 CTSK (0.44) CTSKCTSSPREPCTSLTRPA1
SCHEMBL28799343 0.74 TDP1 (0.44) CA2CA1GAAKMT2AMEN1
SCHEMBL8270886 0.74 CTSK (0.50) CTSKCTSSPREPCTSLTRPA1
SCHEMBL10627589 0.73 CTSL (0.35) CTSKCTSSPREPCTSLTRPA1
SCHEMBL29967266 0.72 MAPK1 (0.42) GAAKMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693072-B2 Elastase inhibitors AVENTIS PHARMACEUTICALS INC. 2004-02-17 US disclosed
EP-0804465-B1 NOVEL ELASTASE INHIBITORS AVENTIS PHARMA INC (US) 2003-08-06 EP disclosed
US-20030096759-A1 Novel elastase inhibitors AVENTISUB II INC. 2003-05-22 US disclosed
US-6265381-B1 MORPHOLINOUREA AND RELATED DERIVATIVES OF PENTAFLUOROETHYL PEPTIDES MERRELL PHARMACEUTICALS, INC. 2001-07-24 US disclosed
US-5714470-A PENTAFLUORO ALKYL TERMINATED PEPTIDE DERIVATIVES; TREATMENT OF INFLAMMATORY DISEASES, EMPHYSEMA AND CHRONIC BRONCHITIS MERRELL PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
EP-0804465-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-11-05 EP disclosed
WO-1995033763-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1995-12-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030096759-A1 Novel elastase inhibitors ELANE, SERPINB1, MMP8 CTSK 162/4885CTSS 108/4885PREP 28/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.